SCHEMBL5069679

SCHEMBL5069679

C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)c1csc(-n2nc(C(F)(F)F)cc2-c2ccco2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.39
PTGER1 P34995 1/20 0.37
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 4/20 0.35
HPGD P15428 4/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA2A P29274 2/20 0.32
ADORA1 P30542 1/20 0.32
PIK3R1 P27986 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5069677 1.00 ADORA3 (0.39) ADORA3PTGER1ALDH1A1KDM4EHPGD
SCHEMBL5064192 0.88 ADORA3 (0.40) ADORA3ALDH1A1KDM4EHPGDTSHR
SCHEMBL5064191 0.88 ADORA3 (0.40) ADORA3ALDH1A1KDM4EHPGDTSHR
SCHEMBL4563438 0.86 ADORA3 (0.37) ADORA3ALDH1A1KDM4EHPGDTSHR
SCHEMBL4563437 0.86 ADORA3 (0.37) ADORA3ALDH1A1KDM4EHPGDTSHR
SCHEMBL5070345 0.84 ADORA3 (0.38) ADORA3ALDH1A1KDM4EHPGDTSHR
SCHEMBL4564046 0.84 ADORA3 (0.38) ADORA3ALDH1A1KDM4EHPGDTSHR
SCHEMBL5069680 0.83 ADORA3 (0.42) ADORA3PTGER1ADORA2BADORA2AADORA1
SCHEMBL5069683 0.83 ADORA3 (0.42) ADORA3PTGER1ADORA2BADORA2AADORA1
SCHEMBL5064370 0.83 ADORA3 (0.38) ADORA3ALDH1A1KDM4EHPGDTSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338437-B2 Methyl transferase inhibitors; antiproliferative agents; antiinflammatory agents; immunotherapy; infection therapy METHYLGENE INC. (CA) 2012-12-25 US disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080280925-A1 Amines as Small Molecule Inhibitors CARM1, PRMT1, PRMT3 ADORA3 1430/4885PTGER1 2933/4885ALDH1A1 2119/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.